[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C21H20N2O4S/c24-19-13-17(16-9-4-5-10-18(16)23-19)21(26)27-14-20(25)22-11-6-12-28-15-7-2-1-3-8-15/h1-5,7-10,13H,6,11-12,14H2,(H,22,25)(H,23,24)